Product OPENEYE NAME: 5-(4-allylmorpholin-4-ium-4-yl)-2-methyl-pent-3-yn-2-ol
CAS Name: 2-methyl-5-(4-prop-2-enyl-4-morpholin-4-iumyl)-3-pentyn-2-ol
IUPAC NAME: 2-methyl-5-(4-prop-2-enylmorpholin-4-ium-4-yl)pent-3-yn-2-ol
SYSTEMATIC NAME: 2-methyl-5-(4-prop-2-enylmorpholin-4-ium-4-yl)pent-3-yn-2-ol
MOLECULAR FORMULA: C13H22NO2+
MOLECULAR WEIGHT: 224.31928
SMILES: CC(C)(C#CC[N+]1(CCOCC1)CC=C)O
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Product OPENEYE NAME: 2-(2-cyanoethyl)-3-methyl-1-(3-pyridylmethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
CAS Name: 2-(2-cyanoethyl)-3-methyl-1-(3-pyridinylmethylamino)-4-pyrido[1,2-a]benzimidazolecarbonitrile
IUPAC NAME: 2-(2-cyanoethyl)-3-methyl-1-(pyridin-3-ylmethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
SYSTEMATIC NAME: 2-(2-cyanoethyl)-3-methyl-1-(pyridin-3-ylmethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile
MOLECULAR FORMULA: C22H18N6
MOLECULAR WEIGHT: 366.41852
SMILES: CC1=C(C2=NC3=CC=CC=C3N2C(=C1CCC#N)NCC4=CN=CC=C4)C#N
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Product OPENEYE NAME: 2-[(4-allyl-5-benzyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid
CAS Name: 2-[[5-(phenylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetic acid
IUPAC NAME: 2-[(5-benzyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid
SYSTEMATIC NAME: 2-[[5-(phenylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid
MOLECULAR FORMULA: C14H15N3O2S
MOLECULAR WEIGHT: 289.3528
SMILES: C=CCN1C(=NN=C1SCC(=O)O)CC2=CC=CC=C2
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Product OPENEYE NAME: dimethyl 5-(3-nitrobenzoyl)-2-thioxo-1H-pyrimidine-4,6-dicarboxylate
CAS Name: 5-[(3-nitrophenyl)-oxomethyl]-2-sulfanylidene-1H-pyrimidine-4,6-dicarboxylic acid dimethyl ester
IUPAC NAME: dimethyl 5-(3-nitrobenzoyl)-2-sulfanylidene-1H-pyrimidine-4,6-dicarboxylate
SYSTEMATIC NAME: dimethyl 5-(3-nitrophenyl)carbonyl-2-sulfanylidene-1H-pyrimidine-4,6-dicarboxylate
MOLECULAR FORMULA: C15H11N3O7S
MOLECULAR WEIGHT: 377.32874
SMILES: COC(=O)C1=C(C(=NC(=S)N1)C(=O)OC)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]
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Product OPENEYE NAME: 3-(4-octoxyphenyl)-N-[(3-phenoxyphenyl)methyleneamino]-1H-pyrazole-5-carboxamide
CAS Name: 3-(4-octoxyphenyl)-N-[(3-phenoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
IUPAC NAME: 3-(4-octoxyphenyl)-N-[(3-phenoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
SYSTEMATIC NAME: 3-(4-octoxyphenyl)-N-[(3-phenoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
MOLECULAR FORMULA: C31H34N4O3
MOLECULAR WEIGHT: 510.62666
SMILES: CCCCCCCCOC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NN=CC3=CC(=CC=C3)OC4=CC=CC=C4
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Product OPENEYE NAME: 8-[2-(2-fluoro-4-methoxy-phenyl)-2-oxo-ethyl]sulfanyl-3,7-dimethyl-purine-2,6-dione
CAS Name: 8-[[2-(2-fluoro-4-methoxyphenyl)-2-oxoethyl]thio]-3,7-dimethylpurine-2,6-dione
IUPAC NAME: 8-[2-(2-fluoro-4-methoxyphenyl)-2-oxoethyl]sulfanyl-3,7-dimethylpurine-2,6-dione
SYSTEMATIC NAME: 8-[2-(2-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]sulfanyl-3,7-dimethyl-purine-2,6-dione
MOLECULAR FORMULA: C16H15FN4O4S
MOLECULAR WEIGHT: 378.378103
SMILES: CN1C2=C(N=C1SCC(=O)C3=C(C=C(C=C3)OC)F)N(C(=O)NC2=O)C
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Product OPENEYE NAME: [3-(4-nitrophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] acetate
CAS Name: acetic acid [3-(4-nitrophenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester
IUPAC NAME: [3-(4-nitrophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] acetate
SYSTEMATIC NAME: [3-(4-nitrophenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] ethanoate
MOLECULAR FORMULA: C18H10F3NO7
MOLECULAR WEIGHT: 409.26971
SMILES: CC(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: [4-(4-fluorophenyl)piperazin-1-yl]-pyrrolidin-2-yl-methanone
CAS Name: [4-(4-fluorophenyl)-1-piperazinyl]-(2-pyrrolidinyl)methanone
IUPAC NAME: [4-(4-fluorophenyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone
SYSTEMATIC NAME: [4-(4-fluorophenyl)piperazin-1-yl]-pyrrolidin-2-yl-methanone
MOLECULAR FORMULA: C15H20FN3O
MOLECULAR WEIGHT: 277.337203
SMILES: C1CC(NC1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)F
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Product OPENEYE NAME: 2-hydroxy-1-(4-hydroxyphenyl)-2-oxo-ethanesulfonate
CAS Name: 2-hydroxy-1-(4-hydroxyphenyl)-2-oxoethanesulfonate
IUPAC NAME: 2-hydroxy-1-(4-hydroxyphenyl)-2-oxoethanesulfonate
SYSTEMATIC NAME: 1-(4-hydroxyphenyl)-2-oxidanyl-2-oxidanylidene-ethanesulfonate
MOLECULAR FORMULA: C8H7O6S-
MOLECULAR WEIGHT: 231.20258
SMILES: C1=CC(=CC=C1C(C(=O)O)S(=O)(=O)[O-])O
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Product OPENEYE NAME: ethyl 2-cyano-3-(4,5-dimethyl-2-furyl)prop-2-enoate
CAS Name: 2-cyano-3-(4,5-dimethyl-2-furanyl)-2-propenoic acid ethyl ester
IUPAC NAME: ethyl 2-cyano-3-(4,5-dimethylfuran-2-yl)prop-2-enoate
SYSTEMATIC NAME: ethyl 2-cyano-3-(4,5-dimethylfuran-2-yl)prop-2-enoate
MOLECULAR FORMULA: C12H13NO3
MOLECULAR WEIGHT: 219.23652
SMILES: CCOC(=O)C(=CC1=CC(=C(O1)C)C)C#N
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Product OPENEYE NAME: [2-methoxy-4-[[[2-(1-naphthyl)acetyl]hydrazono]methyl]phenyl] 4-methoxybenzoate
CAS Name: 4-methoxybenzoic acid [2-methoxy-4-[[[2-(1-naphthalenyl)-1-oxoethyl]hydrazinylidene]methyl]phenyl] ester
IUPAC NAME: [2-methoxy-4-[[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
SYSTEMATIC NAME: [2-methoxy-4-[(2-naphthalen-1-ylethanoylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate
MOLECULAR FORMULA: C28H24N2O5
MOLECULAR WEIGHT: 468.50056
SMILES: COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=NNC(=O)CC3=CC=CC4=CC=CC=C43)OC
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Product OPENEYE NAME: 3-(2-methoxy-2-phenyl-acetyl)-4-phenyl-oxazolidin-2-one
CAS Name: 3-(2-methoxy-1-oxo-2-phenylethyl)-4-phenyl-2-oxazolidinone
IUPAC NAME: 3-(2-methoxy-2-phenylacetyl)-4-phenyl-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 3-(2-methoxy-2-phenyl-ethanoyl)-4-phenyl-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C18H17NO4
MOLECULAR WEIGHT: 311.33188
SMILES: COC(C1=CC=CC=C1)C(=O)N2C(COC2=O)C3=CC=CC=C3
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Product OPENEYE NAME: N-[4-[(4-cyano-3-phenyl-pyrido[1,2-a]benzimidazol-1-yl)amino]phenyl]acetamide
CAS Name: N-[4-[(4-cyano-3-phenyl-1-pyrido[1,2-a]benzimidazolyl)amino]phenyl]acetamide
IUPAC NAME: N-[4-[(4-cyano-3-phenylpyrido[1,2-a]benzimidazol-1-yl)amino]phenyl]acetamide
SYSTEMATIC NAME: N-[4-[(4-cyano-3-phenyl-pyrido[1,2-a]benzimidazol-1-yl)amino]phenyl]ethanamide
MOLECULAR FORMULA: C26H19N5O
MOLECULAR WEIGHT: 417.46196
SMILES: CC(=O)NC1=CC=C(C=C1)NC2=CC(=C(C3=NC4=CC=CC=C4N23)C#N)C5=CC=CC=C5
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Product OPENEYE NAME: N-[[4-methoxy-3-[(3-nitro-1,2,4-triazol-1-yl)methyl]phenyl]methyleneamino]-2-(4-nitrophenoxy)acetamide
CAS Name: N-[[4-methoxy-3-[(3-nitro-1,2,4-triazol-1-yl)methyl]phenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide
IUPAC NAME: N-[[4-methoxy-3-[(3-nitro-1,2,4-triazol-1-yl)methyl]phenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide
SYSTEMATIC NAME: N-[[4-methoxy-3-[(3-nitro-1,2,4-triazol-1-yl)methyl]phenyl]methylideneamino]-2-(4-nitrophenoxy)ethanamide
MOLECULAR FORMULA: C19H17N7O7
MOLECULAR WEIGHT: 455.38098
SMILES: COC1=C(C=C(C=C1)C=NNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-])CN3C=NC(=N3)[N+](=O)[O-]
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Product OPENEYE NAME: ethyl 2-[[5-benzyl-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
CAS Name: 2-[[4-(4-chlorophenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[[5-benzyl-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
SYSTEMATIC NAME: ethyl 2-[[4-(4-chlorophenyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate
MOLECULAR FORMULA: C19H18ClN3O2S
MOLECULAR WEIGHT: 387.88312
SMILES: CCOC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)Cl)CC3=CC=CC=C3
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Product OPENEYE NAME: [4-[[[2-(2-naphthyloxy)acetyl]hydrazono]methyl]phenyl] 3-chlorobenzoate
CAS Name: 3-chlorobenzoic acid [4-[[[2-(2-naphthalenyloxy)-1-oxoethyl]hydrazinylidene]methyl]phenyl] ester
IUPAC NAME: [4-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 3-chlorobenzoate
SYSTEMATIC NAME: [4-[(2-naphthalen-2-yloxyethanoylhydrazinylidene)methyl]phenyl] 3-chloranylbenzoate
MOLECULAR FORMULA: C26H19ClN2O4
MOLECULAR WEIGHT: 458.89306
SMILES: C1=CC=C2C=C(C=CC2=C1)OCC(=O)NN=CC3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)Cl
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